3-[3-(3-methoxy-3-propylhexyl)phenyl]propan-1-amine

C19H33NO — CID 42610459

IUPAC3-[3-(3-methoxy-3-propylhexyl)phenyl]propan-1-amine
SMILESCCCC(CCC)(CCc1cccc(CCCN)c1)OC
InChIInChI=1S/C19H33NO/c1-4-12-19(21-3,13-5-2)14-11-18-9-6-8-17(16-18)10-7-15-20/h6,8-9,16H,4-5,7,10-15,20H2,1-3H3
InChIKeyYXIWXSFXFTUOGG-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.50
Rot. Bonds11

About 3-[3-(3-methoxy-3-propylhexyl)phenyl]propan-1-amine

3-[3-(3-methoxy-3-propylhexyl)phenyl]propan-1-amine (PubChem CID 42610459) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 3-[3-(3-methoxy-3-propylhexyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(3-methoxy-3-propylhexyl)phenyl]propan-1-amine
PubChem CID42610459
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name3-[3-(3-methoxy-3-propylhexyl)phenyl]propan-1-amine
SMILESCCCC(CCC)(CCc1cccc(CCCN)c1)OC
InChIInChI=1S/C19H33NO/c1-4-12-19(21-3,13-5-2)14-11-18-9-6-8-17(16-18)10-7-15-20/h6,8-9,16H,4-5,7,10-15,20H2,1-3H3
InChIKeyYXIWXSFXFTUOGG-UHFFFAOYSA-N
XLogP4.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(2,2-dimethylhexyl)phenyl]propan-1-amine
CID 71016135
4-[3-(2-methoxy-2-methylpropyl)phenyl]butan-1-amine
CID 117115621
1-[3-(3-aminopropyl)phenyl]-2-methylhexan-2-ol
CID 42610750
3-[3-(2-methyl-2-propylpentoxy)phenyl]propan-1-amine
CID 143785905
4-[3-(2-methoxyethyl)phenyl]butan-1-amine
CID 117115617
4-[2-[3-(3-aminopropyl)phenyl]ethenyl]heptan-4-ol
CID 66743795
3-(3-methylphenyl)propan-1-amine
CID 12666388
3-[3-(3-aminopropyl)phenyl]propan-1-ol
CID 42610454
2-[3-(3-aminopropyl)phenyl]-3,3-dimethylbutan-2-ol
CID 71034690
5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentan-1-amine
CID 172845275
4-[3-(3-aminopropyl)phenyl]butan-2-ol
CID 71016170
1,3-di(tetradecyl)benzene
CID 91053224

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methoxy-3-propylhexyl)phenyl]propan-1-amine?
The IUPAC name of 3-[3-(3-methoxy-3-propylhexyl)phenyl]propan-1-amine (CID 42610459) is 3-[3-(3-methoxy-3-propylhexyl)phenyl]propan-1-amine.
What is the SMILES notation for 3-[3-(3-methoxy-3-propylhexyl)phenyl]propan-1-amine?
The canonical SMILES for 3-[3-(3-methoxy-3-propylhexyl)phenyl]propan-1-amine is CCCC(CCC)(CCc1cccc(CCCN)c1)OC.
What is the InChIKey of 3-[3-(3-methoxy-3-propylhexyl)phenyl]propan-1-amine?
The InChIKey is YXIWXSFXFTUOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-4-12-19(21-3,13-5-2)14-11-18-9-6-8-17(16-18)10-7-15-20/h6,8-9,16H,4-5,7,10-15,20H2,1-3H3.
What are the key properties of 3-[3-(3-methoxy-3-propylhexyl)phenyl]propan-1-amine?
3-[3-(3-methoxy-3-propylhexyl)phenyl]propan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.50, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methoxy-3-propylhexyl)phenyl]propan-1-amine is sourced from PubChem (CID 42610459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).